Summary

IMPPAT Phytochemical identifier: IMPHY017912

Phytochemical name: Eudesmadienone

Synonymous chemical names:
eudesmadienone

Chemical structure information

SMILES:
C=C1CCC(=O)[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C

InChI:
InChI=1S/C15H22O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h12-13H,1,3,5-9H2,2,4H3/t12-,13+,15-/m1/s1

InChIKey:
JUKLYNAAYSJUIL-VNHYZAJKSA-N

DeepSMILES:
C=CCCC=O)[C@][C@H]6C[C@@H]CC6))C=C)C)))))C

Functional groups:
C=C(C)C, CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC(=O)C2CCCCC12

Scaffold Graph/Node level:
CC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.99

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Chemical structure download